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	hartrees
Energy at 0K	-616.890412
Energy at 298.15K	-616.900482
HF Energy	-616.202729
Nuclear repulsion energy	234.547195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3216	3031	15.39
2	A	3216	3030	14.25
3	A	3200	3015	16.61
4	A	3195	3011	24.90
5	A	3156	2974	17.48
6	A	3140	2959	1.57
7	A	3111	2931	17.54
8	A	3110	2930	16.56
9	A	3095	2916	14.65
10	A	1572	1481	7.15
11	A	1562	1472	9.48
12	A	1560	1470	1.88
13	A	1551	1461	7.30
14	A	1539	1450	0.98
15	A	1474	1389	6.72
16	A	1471	1386	6.41
17	A	1444	1360	0.42
18	A	1380	1300	24.94
19	A	1366	1287	0.80
20	A	1321	1244	9.14
21	A	1228	1157	5.21
22	A	1176	1108	1.99
23	A	1144	1078	4.02
24	A	1083	1021	1.43
25	A	1044	984	9.77
26	A	1007	949	6.00
27	A	892	840	9.33
28	A	829	781	9.57
29	A	665	626	16.12
30	A	476	448	1.12
31	A	405	382	1.41
32	A	340	321	0.96
33	A	270	254	0.16
34	A	245	231	0.16
35	A	230	217	0.85
36	A	122	115	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	-1.342	1.441	-0.009
H2	-1.510	1.442	-1.089
H3	-2.287	1.213	0.488
H4	-1.020	2.441	0.296
C5	-0.272	0.430	0.358
H6	-0.132	0.407	1.443
Cl7	-0.857	-1.221	-0.070
C8	1.059	0.706	-0.323
H9	1.320	1.748	-0.098
H10	0.915	0.642	-1.407
C11	2.193	-0.211	0.117
H12	2.347	-0.147	1.199
H13	1.978	-1.250	-0.135
H14	3.129	0.072	-0.372

	C1	H2	H3	H4	C5	H6	Cl7	C8	H9	H10	C11	H12	H13	H14
C1		1.0928	1.0918	1.0944	1.5171	2.1543	2.7065	2.5305	2.6814	2.7725	3.9038	4.1941	4.2754	4.6895
H2	1.0928		1.7727	1.7764	2.1567	3.0627	2.9255	2.7798	3.0140	2.5731	4.2305	4.7577	4.5082	4.8893
H3	1.0918	1.7727		1.7750	2.1658	2.4913	2.8781	3.4801	3.6935	3.7644	4.7155	4.8819	4.9645	5.6011
H4	1.0944	1.7764	1.7750		2.1470	2.4985	3.6844	2.7781	2.4726	3.1436	4.1700	4.3422	4.7752	4.8240
C5	1.5171	2.1567	2.1658	2.1470		1.0940	1.8031	1.5205	2.1167	2.1383	2.5584	2.8106	2.8511	3.4967
H6	2.1543	3.0627	2.4913	2.4985	1.0940		2.3381	2.1509	2.5062	3.0458	2.7470	2.5523	3.1129	3.7470
Cl7	2.7065	2.9255	2.8781	3.6844	1.8031	2.3381		2.7288	3.6816	2.8982	3.2182	3.6093	2.8353	4.2008
C8	2.5305	2.7798	3.4801	2.7781	1.5205	2.1509	2.7288		1.0976	1.0958	1.5230	2.1685	2.1693	2.1650
H9	2.6814	3.0140	3.6935	2.4726	2.1167	2.5062	3.6816	1.0976		1.7609	2.1547	2.5153	3.0696	2.4805
H10	2.7725	2.5731	3.7644	3.1436	2.1383	3.0458	2.8982	1.0958	1.7609		2.1645	3.0766	2.5161	2.5093
C11	3.9038	4.2305	4.7155	4.1700	2.5584	2.7470	3.2182	1.5230	2.1547	2.1645		1.0942	1.0914	1.0931
H12	4.1941	4.7577	4.8819	4.3422	2.8106	2.5523	3.6093	2.1685	2.5153	3.0766	1.0942		1.7697	1.7682
H13	4.2754	4.5082	4.9645	4.7752	2.8511	3.1129	2.8353	2.1693	3.0696	2.5161	1.0914	1.7697		1.7692
H14	4.6895	4.8893	5.6011	4.8240	3.4967	3.7470	4.2008	2.1650	2.4805	2.5093	1.0931	1.7682	1.7692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.132	C1	C5	Cl7	108.904
C1	C5	C8	112.828	H2	C1	H3	108.483
H2	C1	H4	108.616	H2	C1	C5	110.396
H3	C1	H4	108.571	H3	C1	C5	111.183
H4	C1	C5	109.531	C5	C8	H9	106.787
C5	C8	H10	108.539	C5	C8	C11	114.411
H6	C5	Cl7	104.961	H6	C5	C8	109.633
Cl7	C5	C8	110.086	C8	C11	H12	110.837
C8	C11	H13	111.072	C8	C11	H14	110.629
H9	C8	H10	106.802	H9	C8	C11	109.550
H10	C8	C11	110.424	H12	C11	H13	108.132
H12	C11	H14	107.885	H13	C11	H14	108.168

All results from a given calculation for CH₃CHClCH₂CH₃ (Butane, 2-chloro-)

using model chemistry: MP2=FULL/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3CHClCH2CH3 (Butane, 2-chloro-)

using model chemistry: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for CH₃CHClCH₂CH₃ (Butane, 2-chloro-)